9I2I

X-ray structure of the B1 domain of streptococcal protein G triple mutant T2Q, N8D, and N37D (GB1-QDD).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM07
Synchrotron site	ESRF
Beamline	BM07
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97951
Spacegroup name	C 1 2 1
Unit cell lengths	77.480, 35.186, 49.943
Unit cell angles	90.00, 122.51, 90.00

Refinement procedure

Resolution	20.820 - 1.080
R-factor	0.1815
Rwork	0.180
R-free	0.20960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.996
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.110	1.210
High resolution limit [Å]	1.080	1.080
Rpim	0.012	0.259
Number of reflections	43133	1250
<I/σ(I)>	22.6	2
Completeness [%]	96.6
Redundancy	13.5
CC(1/2)	0.989	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS		278	50% MPD, 25% isopropyl alcohol,